yuanqidu / M2HubLinks
☆46Updated 5 months ago
Alternatives and similar repositories for M2Hub
Users that are interested in M2Hub are comparing it to the libraries listed below
Sorting:
- ☆18Updated 3 months ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆33Updated 5 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆48Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆50Updated 2 months ago
- Text-based modeling of materials.☆32Updated 6 months ago
- Higher-order equivariant neural networks for charge density prediction in materials☆57Updated 3 months ago
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆35Updated 3 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆41Updated 5 months ago
- AI for crystal materials☆54Updated this week
- ☆32Updated 4 years ago
- ☆56Updated 5 months ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆95Updated last week
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆56Updated 7 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆120Updated last year
- ☆28Updated 3 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆38Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆22Updated 7 months ago
- Coarse-grained Diffusion for Metal-Organic Framework Design☆42Updated 11 months ago
- (NeurIPS 2023) QuinNet: Efficiently Incorporating Quintuple Interactions into Geometric Deep Learning Force Fields☆10Updated 10 months ago
- A text-guided diffusion model for crystal structure generation☆56Updated last week
- ☆10Updated last week
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆74Updated 3 years ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆20Updated last year
- FTCP code☆34Updated last year
- GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆26Updated 2 years ago
- ☆34Updated 3 months ago
- ☆19Updated last year
- cG-SchNet - a conditional generative neural network for 3d molecular structures☆61Updated 2 years ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆117Updated last month
- Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.☆15Updated last year